Closed
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Jun 19, 2023–Sep 29, 2023
2024.devcycle3
Third quarterly development cycle leading to the 2024 release
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0
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1
Completed Issues (closed)
14
- Update gmxapi simulation setup protocol.
- SYCL Listed Forces kernel broken on Gen9 Intel GPU
- mdrun ignores failures when copying state.cpt to state_prev.cpt
- Simplify RB dihedral force calculation for CUDA and CPU
- Non-multiple GPU counts should be allowed
- Gromacs 2023.1 never updates *_prev.cpt checkpoint file
- The AWH growth factor should be user controllable
- Re-implement gmx hbond using TAF
- Remove boilerplate functions for TimeControl access
- improve DLB reporting in GPU-residen runs
- overcoming memory limitations in gmx hbond
- Fix logic around use of x buffer ops
- gmxapi.commandline_operation has potentially confusing behavior with relative paths in *input_files* parameter
- flop accounting can write garbage
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